Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C25H34O7 |
| Molecular Weight | 446.5342 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCC1([H])O[C@]2([H])C[C@@]3([H])[C@]4([H])C[C@]([H])(C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@]([H])(C[C@]3(C)[C@]2(C(=O)CO)O1)O)O
InChI
InChIKey=JBVVDXJXIDYDMF-GVTADUIWSA-N
InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1
| Molecular Formula | C25H34O7 |
| Molecular Weight | 446.5342 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 10:37:21 UTC 2021
by
admin
on
Sat Jun 26 10:37:21 UTC 2021
|
| Record UNII |
0J80E95H99
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
88411-77-2
Created by
admin on Sat Jun 26 10:37:21 UTC 2021 , Edited by admin on Sat Jun 26 10:37:21 UTC 2021
|
PRIMARY | |||
|
0J80E95H99
Created by
admin on Sat Jun 26 10:37:21 UTC 2021 , Edited by admin on Sat Jun 26 10:37:21 UTC 2021
|
PRIMARY | |||
|
71748814
Created by
admin on Sat Jun 26 10:37:21 UTC 2021 , Edited by admin on Sat Jun 26 10:37:21 UTC 2021
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In vitro mediator: CYP3A4
|
